Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 7B4E4PPN49
EPA CompTox DTXSID80206821

Structure

InChI Key OFDVABAUFQJWEZ-UHFFFAOYSA-N
Smiles N1=CC=CC(=C1)C=2C=NC=CC2
InChI
InChI=1/C10H8N2/c1-3-9(7-11-5-1)10-4-2-6-12-8-10/h1-8H

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H8N2
Molecular Weight 156.07
AlogP 2.14
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 25.78
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 581-46-4
NORMAN SUSDAT
FDA SRS 7B4E4PPN49
PubChem 68487